General Information of the Compound
| Compound ID |
CP0396779
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| Compound Name |
N-[3-[3-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]butane-1-sulfonamide
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| Structure |
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| Formula |
C23H32N8O2S
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| Molecular Weight |
484.63
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| Canonical SMILES |
CCCCS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2cc(nc(C)n2)N2CCN(C)CC2)[nH]n1
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| InChI |
InChI=1S/C23H32N8O2S/c1-4-5-13-34(32,33)29-19-8-6-7-18(14-19)20-15-22(28-27-20)26-21-16-23(25-17(2)24-21)31-11-9-30(3)10-12-31/h6-8,14-16,29H,4-5,9-13H2,1-3H3,(H2,24,25,26,27,28)
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| InChIKey |
WBYNEGUTLZQEPR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound